N-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-4-(trifluoromethyl)benzamide

Systemtic Name: N-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-4-(trifluoromethyl)benzamide Openeye Name: N-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-4-(trifluoromethyl)benzamide CAS Name: N-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-4-(trifluoromethyl)benzamide IUPAC Name: N-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-4-(trifluoromethyl)benzamide Traditional Name: N-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)-4-(trifluoromethyl)benzamide Formula: C22H15F3N2O2S MolecularWeight: 428.42691

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)SC4=CC=CC=C4C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C22H15F3N2O2S/c1-27-17-12-15(26-20(28)13-6-8-14(9-7-13)22(23,24)25)10-11-19(17)30-18-5-3-2-4-16(18)21(27)29/h2-12H,1H3,(H,26,28)